N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine

C27H54N4O3 — CID 19989276

IUPACN,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCCC1CN(CCN(CCN2CCOC(C)C2)CCN2CC(CC)OC(CC)C2)CC(CC)O1
InChIInChI=1S/C27H54N4O3/c1-6-24-19-30(20-25(7-2)33-24)14-11-28(10-13-29-16-17-32-23(5)18-29)12-15-31-21-26(8-3)34-27(9-4)22-31/h23-27H,6-22H2,1-5H3
InChIKeyILRTZWVZPGTRTQ-UHFFFAOYSA-N
MW482.75 g/mol
LogP2.79
Rot. Bonds13

About N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine

N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine (PubChem CID 19989276) has the molecular formula C27H54N4O3 and a molecular weight of 482.75 g/mol. Its IUPAC name is N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine
PubChem CID19989276
Molecular FormulaC27H54N4O3
Molecular Weight482.75 g/mol
Exact Mass482.42
IUPAC NameN,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCCC1CN(CCN(CCN2CCOC(C)C2)CCN2CC(CC)OC(CC)C2)CC(CC)O1
InChIInChI=1S/C27H54N4O3/c1-6-24-19-30(20-25(7-2)33-24)14-11-28(10-13-29-16-17-32-23(5)18-29)12-15-31-21-26(8-3)34-27(9-4)22-31/h23-27H,6-22H2,1-5H3
InChIKeyILRTZWVZPGTRTQ-UHFFFAOYSA-N
XLogP2.79
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.75
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine?
The IUPAC name of N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine (CID 19989276) is N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine is CCC1CN(CCN(CCN2CCOC(C)C2)CCN2CC(CC)OC(CC)C2)CC(CC)O1.
What is the InChIKey of N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine?
The InChIKey is ILRTZWVZPGTRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N4O3/c1-6-24-19-30(20-25(7-2)33-24)14-11-28(10-13-29-16-17-32-23(5)18-29)12-15-31-21-26(8-3)34-27(9-4)22-31/h23-27H,6-22H2,1-5H3.
What are the key properties of N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine?
N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine has a molecular weight of 482.75 g/mol, XLogP of 2.79, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(2,6-diethylmorpholin-4-yl)ethyl]-2-(2-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 19989276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).